| SpectraBase Compound ID | BrrmGEXjZmD |
|---|---|
| InChI | InChI=1S/C8H4N2O4S/c9-4-15-6-3-1-2-5(8(11)12)7(6)10(13)14/h1-3H,(H,11,12) |
| InChIKey | PRZWXCHNXJRCLI-UHFFFAOYSA-N |
| Mol Weight | 224.19 g/mol |
| Molecular Formula | C8H4N2O4S |
| Exact Mass | 223.989178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7pMar9R4hPf |
|---|---|
| Name | 2-Nitro-3-thiocyanato-benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H4N2O4S |
| InChI | InChI=1S/C8H4N2O4S/c9-4-15-6-3-1-2-5(8(11)12)7(6)10(13)14/h1-3H,(H,11,12) |
| InChIKey | PRZWXCHNXJRCLI-UHFFFAOYSA-N |
| Molecular Weight | 224.190 g/mol |
| SMILES | OC(c1c(N(=O)=O)c(SC#N)ccc1)=O |
| SPLASH | splash10-029b-9400000000-4a8b0a244514ff6aead3 |
| Wiley ID | 1450310 |